- InChI
- InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3
- InChI Key
- RVGLUKRYMXEQAH-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- CC1(C)COC1
- Molecular Weight1
- 86.13
- Other Names
-
- .beta.-.beta.'-dimethyltrimethylene oxide
- 1,3-Epoxy-2,2-dimethylpropane
- 3,3-Dimethyltrimethylene oxide
- 3,3-dimethyloxetane
- Propane, 1,3-epoxy-2,2-dimethyl-
- «beta»,«beta»-Dimethyltrimethylene oxide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-3214.50; -3140.20] | kJ/mol |
|
| ΔcH°liquid | -3214.50 ± 1.60 | kJ/mol | NIST |
| ΔcH°liquid | -3140.20 ± 0.20 | kJ/mol | NIST |
| ΔfH°gas | -148.20 ± 1.70 | kJ/mol | NIST |
| ΔfH°liquid | -182.20 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 6.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [33.90; 34.07] | kJ/mol |
|
| ΔvapH° | 34.07 | kJ/mol | NIST |
| ΔvapH° | 33.94 ± 0.29 | kJ/mol | NIST |
| ΔvapH° | 34.00 | kJ/mol | NIST |
| ΔvapH° | 33.90 ± 0.30 | kJ/mol | NIST |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.043 | Crippen Calculated Property | |
| McVol | 76.320 | ml/mol | McGowan Calculated Property |
| Pc | 4403.25 | kPa | Joback Calculated Property |
| Inp | [648.00; 666.00] |
|
|
| Inp | 666.00 | NIST | |
| Inp | 648.00 | NIST | |
| Tboil | [349.65; 353.70] | K |
|
| Tboil | 352.80 | K | Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa |
| Tboil | 353.70 | K | NIST |
| Tboil | 349.65 ± 2.00 | K | NIST |
| Tfus | 213.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 30.85 | kJ/mol | 353.70 | NIST |
| Pvap | 101.30 | kPa | 352.80 | Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [96.65; 285.65] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.96900e+01 | |||
| Coefficient B | 9.09040e-01 | |||
| Coefficient C | -9.40700e-04 | |||
| Coefficient D | 4.07000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 96.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 132.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 184.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 204.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 220.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 236.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 251.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 267.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 285.65 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxetane, 3,3-dimethyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Isobaric Vapor-Liquid Equilibrium for Two Binary Systems of 3,3-Dimethyloxetane + Methyl Cyclohexane and 3-Chloro-2,2-dimethyl-1-propanol + Methyl Cyclohexane at 101.3 kPa
- Joback Method
- McGowan Method
- NIST Webbook
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